OEFilter through its dependence on Neutral pH model
(OESetNeutralpHModel) has been refined to reflect
feedback from collaborators. In particular isoxazoles and oxadiazoles were
added while pyrazoles and aryl sulfonamides were refined. Aryl sulfonamide
refinement also incorporated changes based on newly obtained experimental data.
Through its dependence on OESetNeutralpHModelOEFilter now correctly addresses beta di-amino groups
so that if all other considerations are equivalent, secondary amines are
treated as most basic, followed by primary amines, with tertiary amine being
treated as least basic.